SCHEMBL7448167

SCHEMBL7448167

Cc1ccccc1C(=O)NNC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.50
TLR7 Q9NYK1 10/20 0.48
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SGMS2 Q8NHU3 3/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7448360 0.90 TLR7 (0.50) PTGER1TLR7NPC1SMN1; SMN2SGMS2
SCHEMBL7446264 0.89 TLR7 (0.50) PTGER1TLR7NPC1SGMS2
SCHEMBL7549322 0.87 PTGER1 (0.49) PTGER1TLR7NPC1GAASMN1; SMN2
SCHEMBL7449277 0.86 PTGER1 (0.47) PTGER1TLR7NPC1
SCHEMBL7447138 0.86 PTGER1 (0.54) PTGER1TLR7
SCHEMBL7449236 0.84 PTGER1 (0.46) PTGER1TLR7NPC1
SCHEMBL6983082 0.83 PTGER1 (0.56) PTGER1TLR7GAA
SCHEMBL7444514 0.83 PTGER1 (0.48) PTGER1TLR7NPC1GAASGMS2
SCHEMBL7087561 0.83 PTGER1 (0.52) PTGER1TLR7GAA
SCHEMBL7445338 0.83 PTGER1 (0.50) PTGER1TLR7NPC1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP claimed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO claimed
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed